K-3 picene is a superconducting molecular crystal with a critical temperature of T-c = 7 or 18 K, depending on the preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for T-c 3-8 K. The average electron-phonon coupling, calculated by including the phonon energy scale in the electron-phonon scattering, is lambda = 0.73 and omega(log) = 18.0 meV. Intercalant and intermolecular phonon modes contribute substantially (40%) to lambda as also shown by the isotope exponents of potassium (0.19) and carbon (0.31). The relevance of these modes makes superconductivity in K-doped picene peculiar and different from that of fullerenes.

Intercalant and Intermolecular Phonon Assisted Superconductivity in K-Doped Picene / Casula, Michele; Calandra, Matteo; Profeta, Gianni; Mauri, Francesco. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 107:13(2011). [10.1103/PhysRevLett.107.137006]

Intercalant and Intermolecular Phonon Assisted Superconductivity in K-Doped Picene

Casula, Michele;Profeta, Gianni;Mauri, Francesco
2011

Abstract

K-3 picene is a superconducting molecular crystal with a critical temperature of T-c = 7 or 18 K, depending on the preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for T-c 3-8 K. The average electron-phonon coupling, calculated by including the phonon energy scale in the electron-phonon scattering, is lambda = 0.73 and omega(log) = 18.0 meV. Intercalant and intermolecular phonon modes contribute substantially (40%) to lambda as also shown by the isotope exponents of potassium (0.19) and carbon (0.31). The relevance of these modes makes superconductivity in K-doped picene peculiar and different from that of fullerenes.
2011
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Intercalant and Intermolecular Phonon Assisted Superconductivity in K-Doped Picene / Casula, Michele; Calandra, Matteo; Profeta, Gianni; Mauri, Francesco. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 107:13(2011). [10.1103/PhysRevLett.107.137006]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1336835
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